1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane

C31H70N4O — CID 157298742

IUPAC1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane
SMILESC.C.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C10H21N.C9H19NO.2CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;;/h5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;2*1H4
InChIKeyBBQKWLRZRJKHFD-UHFFFAOYSA-N
MW514.93 g/mol
LogP6.44
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane

1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane (PubChem CID 157298742) has the molecular formula C31H70N4O and a molecular weight of 514.93 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane
PubChem CID157298742
Molecular FormulaC31H70N4O
Molecular Weight514.93 g/mol
Exact Mass514.55
IUPAC Name1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane
SMILESC.C.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C10H22N2.C10H21N.C9H19NO.2CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;;/h5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;2*1H4
InChIKeyBBQKWLRZRJKHFD-UHFFFAOYSA-N
XLogP6.44
TPSA22.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.93
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane (CID 157298742) is 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane is C.C.CC(C)(C)CN1CCCCC1.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane?
The InChIKey is BBQKWLRZRJKHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2.C10H21N.C9H19NO.2CH4/c1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)9-11-7-5-4-6-8-11;1-9(2,3)8-10-4-6-11-7-5-10;;/h5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3;2*1H4.
What are the key properties of 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane?
1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane has a molecular weight of 514.93 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;1-(2,2-dimethylpropyl)piperidine;methane is sourced from PubChem (CID 157298742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).